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Chemical structure of AVE-0118

GC70456

AVE-0118

Also known as 2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide

AVE-0118 is a nonselective Kv1·5 blocker with an IC50 of 1·1 μM

ChemicalCAS498577-53-0MW479.57FormulaC30H29N3O3
CAS number
498577-53-0
Molecular weight
479.57
Formula
C30H29N3O3
InChIKey
CHDSRMIDIQABTP-UHFFFAOYSA-N
Catalogue number
GC70456
Brand
GLPBIO
Computed properties PubChem CID 9811357 · XLogP 4.4 · TPSA 80.3 Ų · H-bond donors 2
XLogP
4.4
TPSA
80.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
36

SMILES COC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCCC4=CN=CC=C4

Computed descriptors from PubChem (CID 9811357), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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